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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:55 UTC
Update Date2025-03-21 18:30:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00081199
Frequency35.7
Structure
Chemical FormulaC10H15NO3
Molecular Mass197.1052
SMILESCOc1cc(CCN)c(OC)cc1O
InChI KeyDKCJDOVTVNRKQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • p-dimethoxybenzene
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound